3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 394230-10-5) is a chemical compound with molecular formula C31H22ClN5O3S and molecular weight 579.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, F0742-0040, 5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide, (3Z)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(3-nitrophenyl)-N-phenylpyrazolidine-1-carbothioamide, 3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(3-nitrophenyl)-N-phenylpyrazolidine-1-carbothioamide
| Molecular Formula | C31H22ClN5O3S |
|---|---|
| Molecular Weight | 579.11 g/mol |
| LogP | 7.3048 |
| Topological Polar Surface Area | 103.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 579.11316 |
| Heavy Atoms | 41 |
| Complexity | 1893.5004 |
Chemical Identifiers
| CAS Number | 394230-10-5 |
|---|---|
| SMILES | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5)C6=CC(=CC=C6)[N+](=O)[O-] |
Product Overview
3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 394230-10-5), with molecular formula C31H22ClN5O3S and molecular weight 579.11 g/mol. IUPAC: 5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 7.3048 indicates that 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 394230-10-5.
What is the molecular formula of 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C31H22ClN5O3S.
What is the molecular weight of 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 579.11 g/mol.
Where can I buy 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3-nitrophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.